1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea

C23H30N4O2 — CID 38314037

IUPAC1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
SMILESC[C@@H](CNC(=O)NCc1cccnc1OC1CCCC1)N1CCc2ccccc21
InChIInChI=1S/C23H30N4O2/c1-17(27-14-12-18-7-2-5-11-21(18)27)15-25-23(28)26-16-19-8-6-13-24-22(19)29-20-9-3-4-10-20/h2,5-8,11,13,17,20H,3-4,9-10,12,14-16H2,1H3,(H2,25,26,28)/t17-/m0/s1
InChIKeyJCJYFITXPOIKLL-KRWDZBQOSA-N
MW394.52 g/mol
LogP3.65
Rot. Bonds7

About 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea

1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea (PubChem CID 38314037) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
PubChem CID38314037
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
SMILESC[C@@H](CNC(=O)NCc1cccnc1OC1CCCC1)N1CCc2ccccc21
InChIInChI=1S/C23H30N4O2/c1-17(27-14-12-18-7-2-5-11-21(18)27)15-25-23(28)26-16-19-8-6-13-24-22(19)29-20-9-3-4-10-20/h2,5-8,11,13,17,20H,3-4,9-10,12,14-16H2,1H3,(H2,25,26,28)/t17-/m0/s1
InChIKeyJCJYFITXPOIKLL-KRWDZBQOSA-N
XLogP3.65
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea with MolForge

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Related Compounds

1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94030578
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide
CID 46434537
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 124742659
(2R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 51942830
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 51084342
(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 51725598
1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
tert-butyl (3R)-3-[(2-cyclopentyloxy-3-pyridinyl)methylcarbamoyl]piperidine-1-carboxylate
CID 51941848
N-[(2-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504884
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
CID 99823439
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 38282104

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea?
The IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea (CID 38314037) is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea.
What is the SMILES notation for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea?
The canonical SMILES for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea is C[C@@H](CNC(=O)NCc1cccnc1OC1CCCC1)N1CCc2ccccc21.
What is the InChIKey of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea?
The InChIKey is JCJYFITXPOIKLL-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17(27-14-12-18-7-2-5-11-21(18)27)15-25-23(28)26-16-19-8-6-13-24-22(19)29-20-9-3-4-10-20/h2,5-8,11,13,17,20H,3-4,9-10,12,14-16H2,1H3,(H2,25,26,28)/t17-/m0/s1.
What are the key properties of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea?
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea has a molecular weight of 394.52 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea is sourced from PubChem (CID 38314037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).